N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C22H24F3N5O3 — CID 122362958

IUPACN-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C1CNC(=O)C(N2CCOCC2)N1
InChIInChI=1S/C22H24F3N5O3/c1-13-17(18-12-27-21(32)19(29-18)30-5-7-33-8-6-30)10-16(11-26-13)28-20(31)14-3-2-4-15(9-14)22(23,24)25/h2-4,9-11,18-19,29H,5-8,12H2,1H3,(H,27,32)(H,28,31)
InChIKeyTULAOSYCUOQCOS-UHFFFAOYSA-N
MW463.46 g/mol
LogP2.08
Rot. Bonds4

About N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 122362958) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID122362958
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC NameN-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C1CNC(=O)C(N2CCOCC2)N1
InChIInChI=1S/C22H24F3N5O3/c1-13-17(18-12-27-21(32)19(29-18)30-5-7-33-8-6-30)10-16(11-26-13)28-20(31)14-3-2-4-15(9-14)22(23,24)25/h2-4,9-11,18-19,29H,5-8,12H2,1H3,(H,27,32)(H,28,31)
InChIKeyTULAOSYCUOQCOS-UHFFFAOYSA-N
XLogP2.08
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 122362958) is N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C1CNC(=O)C(N2CCOCC2)N1.
What is the InChIKey of N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is TULAOSYCUOQCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3/c1-13-17(18-12-27-21(32)19(29-18)30-5-7-33-8-6-30)10-16(11-26-13)28-20(31)14-3-2-4-15(9-14)22(23,24)25/h2-4,9-11,18-19,29H,5-8,12H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 463.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(6-morpholin-4-yl-5-oxopiperazin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 122362958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).